2-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(isobutylcarbamothioyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-methylpropylamino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-methylpropylcarbamothioyl)amino]ethyl-dimethylazanium Traditional Name: 2-[isobutylthiocarbamoyl-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC[NH+](C)C)C(=S)NCC(C)C

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC[NH+](C)C)C(=S)NCC(C)C

InChI

InChI=1S/C21H32N4OS/c1-14(2)12-22-21(27)25(10-9-24(5)6)13-17-11-18-15(3)7-8-16(4)19(18)23-20(17)26/h7-8,11,14H,9-10,12-13H2,1-6H3,(H,22,27)(H,23,26)/p+1